methyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]nicotinic acid methyl ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c1-27-17(22)15-6-3-7-18-16(15)19-8-10-20(11-9-19)28(25,26)14-5-2-4-13(12-14)21(23)24/h2-7,12H,8-11H2,1H3